CID 3059240

1,3-dimethyl-5-(2-pyridylmethyl)biuret

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CNC(=O)N(C)C(=O)NCC1=CC=CC=N1
InChI
InChI=1S/C10H14N4O2/c1-11-9(15)14(2)10(16)13-7-8-5-3-4-6-12-8/h3-6H,7H2,1-2H3,(H,11,15)(H,13,16)
InChIKey
BMRFPTIDXRNSPQ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1-(pyridin-2-ylmethylcarbamoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.11168 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 150.1
[M+Na]+ 245.10090 154.9
[M-H]- 221.10440 153.7
[M+NH4]+ 240.14550 166.6
[M+K]+ 261.07484 154.8
[M+H-H2O]+ 205.10894 141.8
[M+HCOO]- 267.10988 175.6
[M+CH3COO]- 281.12553 196.8
[M+Na-2H]- 243.08635 155.7
[M]+ 222.11113 149.7
[M]- 222.11223 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe